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{
"id": "jvasp-29003",
"created_at": "2022-09-04T14:37:45.144268Z",
"updated_at": "2022-09-04T14:37:45.144288Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.346311 -0.000000 0.000000\n-1.673156 2.897486 -0.004145\n0.000004 -0.049406 34.024368\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666175 0.332350 0.026484 Te\n0.668325 0.336650 0.138169 Te\n0.333859 0.667720 0.082261 Mo\n0.666699 0.333402 0.286815 Mo\n0.333259 0.666522 0.473152 W\n0.666152 0.332308 0.660662 W\n0.334152 0.668306 0.335802 Se\n0.333797 0.667598 0.709852 Se\n0.332530 0.665062 0.237819 Se\n0.331804 0.663613 0.611415 Se\n0.665990 0.331982 0.428346 S\n0.667244 0.334490 0.517973 S\n",
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{
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{
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"created_at": "2022-09-04T14:37:56.244829Z",
"updated_at": "2022-09-04T14:37:56.244838Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.345227 -0.000011 -0.000017\n-1.672623 2.897048 -0.000103\n-0.000185 -0.001361 36.083224\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666651 0.333306 0.418676 Te\n0.666719 0.333394 0.524107 Te\n0.333300 0.666621 0.095295 Mo\n0.333341 0.666682 0.471366 Mo\n0.666650 0.333309 0.277791 W\n0.666702 0.333383 0.658438 W\n0.333358 0.666699 0.324254 Se\n0.666591 0.333233 0.049137 Se\n0.666664 0.333331 0.141507 Se\n0.333288 0.666605 0.231347 Se\n0.333395 0.666750 0.700676 S\n0.333348 0.666696 0.616153 S\n",
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"density_atomic": 0.034315904655663955,
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{
"id": "jvasp-119301",
"created_at": "2022-09-04T14:38:50.449320Z",
"updated_at": "2022-09-04T14:38:50.449341Z",
"structure_string": "Mn6 Co4 O16\n1.0\n4.870125 -0.000000 0.000000\n0.000000 5.691503 0.000000\n-0.000000 -0.000000 9.153440\nMn Co O\n6 4 16\ndirect\n0.176433 0.761814 0.002214 Mn\n0.823566 0.738186 0.502214 Mn\n0.823566 0.261814 0.502214 Mn\n0.176433 0.238186 0.002214 Mn\n0.687609 0.500000 0.997805 Mn\n0.312390 0.000000 0.497805 Mn\n0.680973 0.000000 0.810815 Co\n0.319026 0.500000 0.310815 Co\n0.679871 0.000000 0.212016 Co\n0.320128 0.500000 0.712016 Co\n0.335289 0.000000 0.111453 O\n0.025738 0.500000 0.888272 O\n0.974261 0.000000 0.388272 O\n0.643558 0.000000 0.609558 O\n0.356441 0.500000 0.109558 O\n0.664710 0.500000 0.611453 O\n0.501407 0.772195 0.372849 O\n0.146526 0.758679 0.611477 O\n0.498592 0.272195 0.872849 O\n0.501407 0.227804 0.372849 O\n0.853473 0.741320 0.111477 O\n0.977280 0.500000 0.388906 O\n0.146526 0.241321 0.611477 O\n0.853473 0.258679 0.111477 O\n0.498592 0.727804 0.872849 O\n0.022719 0.000000 0.888906 O\n",
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{
"id": "jvasp-28566",
"created_at": "2022-09-04T14:35:49.626751Z",
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"structure_string": "Te2 Mo3 S4\n1.0\n3.309643 0.000000 0.000000\n-1.654821 2.862895 0.138093\n0.000000 0.968669 19.765852\nTe Mo S\n2 3 4\ndirect\n0.588857 0.177714 0.581842 Te\n0.523510 0.047019 0.776772 Te\n0.440055 0.880110 0.024974 Mo\n0.222826 0.445653 0.679375 Mo\n0.670420 0.340839 0.336640 Mo\n0.311073 0.622145 0.414284 S\n0.799391 0.598782 0.947339 S\n0.747390 0.494780 0.102577 S\n0.363076 0.726152 0.259035 S\n",
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{
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"structure_string": "Mn1 Co3\n1.0\n3.499573 0.000000 -0.000000\n-0.000000 3.499573 -0.000000\n-0.000000 -0.000000 3.499573\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
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"created_at": "2022-09-04T14:37:48.102341Z",
"updated_at": "2022-09-04T14:37:48.102365Z",
"structure_string": "Hf6 Al16 Rh7\n1.0\n0.000000 6.151794 6.151794\n6.151794 0.000000 6.151794\n6.151794 6.151794 -0.000000\nHf Al Rh\n6 16 7\ndirect\n0.683324 0.316674 0.316674 Hf\n0.316674 0.683324 0.683324 Hf\n0.316674 0.683324 0.316674 Hf\n0.316674 0.316674 0.683324 Hf\n0.683324 0.316674 0.683324 Hf\n0.683324 0.683324 0.316674 Hf\n0.358667 0.880444 0.880444 Al\n0.880444 0.358667 0.880444 Al\n0.880444 0.880444 0.358667 Al\n0.880444 0.880444 0.880444 Al\n0.119555 0.641336 0.119555 Al\n0.641336 0.119555 0.119555 Al\n0.119555 0.119555 0.641336 Al\n0.119555 0.119555 0.119555 Al\n0.661962 0.014115 0.661962 Al\n0.661962 0.661962 0.014115 Al\n0.661962 0.661962 0.661962 Al\n0.338038 0.985884 0.338038 Al\n0.985884 0.338038 0.338038 Al\n0.338038 0.338038 0.985884 Al\n0.338038 0.338038 0.338038 Al\n0.014115 0.661962 0.661962 Al\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
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{
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"structure_string": "Mn1 Co3\n1.0\n3.499447 -0.000000 0.000000\n0.000000 3.499447 0.000000\n-0.000000 -0.000000 3.499447\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
"id": "jvasp-90096",
"created_at": "2022-09-04T14:36:01.770346Z",
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"structure_string": "V5 Se4\n1.0\n0.000000 -0.000000 3.364351\n-4.651470 4.651470 1.682177\n-4.651470 -4.651470 1.682177\nV Se\n5 4\ndirect\n0.000000 0.000000 0.000000 V\n0.617589 0.691503 0.073322 V\n0.382413 0.308498 0.926678 V\n0.309091 0.073322 0.308498 V\n0.690911 0.926678 0.691503 V\n0.722348 0.340871 0.214434 Se\n0.277654 0.659129 0.785566 Se\n0.063219 0.214434 0.659129 Se\n0.936782 0.785566 0.340871 Se\n",
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{
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"structure_string": "Sm2 Fe2 Si2 C1\n1.0\n0.000000 -3.974566 -0.000000\n4.155410 -1.987283 -3.406733\n4.172100 -1.987283 3.486785\nSm Fe Si C\n2 2 2 1\ndirect\n0.440754 0.821759 0.296734 Sm\n0.559246 0.178241 0.703266 Sm\n0.802662 0.304526 0.090151 Fe\n0.197337 0.695475 0.909849 Fe\n0.829025 0.612218 0.729732 Si\n0.170974 0.387783 0.270268 Si\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "W1 Br1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nW Br O\n1 1 1\ndirect\n0.000000 0.000000 0.019031 W\n0.000000 0.000000 0.245861 Br\n0.000000 0.000000 0.803118 O\n",
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{
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"structure_string": "Li2 Fe2 C4 O12\n1.0\n0.000000 4.534602 -0.501542\n7.935297 0.000000 0.000000\n0.000000 -1.446399 -5.625764\nLi Fe C O\n2 2 4 12\ndirect\n0.039732 0.948693 0.832467 Li\n0.960267 0.448692 0.167532 Li\n0.619758 0.985007 0.303389 Fe\n0.380240 0.485007 0.696610 Fe\n0.104866 0.759724 0.423358 C\n0.895133 0.259723 0.576641 C\n0.593608 0.737957 0.941593 C\n0.406391 0.237957 0.058406 C\n0.318954 0.736518 0.850629 O\n0.681045 0.236518 0.149370 O\n0.726259 0.877144 0.017600 O\n0.736566 0.599151 0.945590 O\n0.742195 0.392515 0.602629 O\n0.215800 0.608712 0.409997 O\n0.835815 0.776680 0.462376 O\n0.164184 0.276680 0.537624 O\n0.273741 0.377144 -0.017600 O\n0.257804 0.892515 0.397370 O\n0.784199 0.108712 0.590002 O\n0.263433 0.099151 0.054410 O\n",
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}